SCHEMBL17992187

SCHEMBL17992187

CCS(=O)(=O)c1cccnc1-c1ccc(OCC(F)(F)C(F)(F)F)c(OC)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.36
▸ NFE2L2 Q16236 4/20 0.35
▸ RXFP1 Q9HBX9 4/20 0.33
▸ COMT P21964 1/20 0.32
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ TSHR P16473 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GLA P06280 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ EDNRA P25101 1/20 0.31
▸ SLC40A1 Q9NP59 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17992185 0.86 COMT (0.38) COMTMEN1KMT2ASCN9AKDM4E
SCHEMBL20626878 0.86 AAK1 (0.34) NFE2L2COMTMEN1KMT2AALDH1A1
SCHEMBL20626880 0.84 PLCG1 (0.32) COMT
SCHEMBL17992235 0.79 CYP4F2 (0.34) NFE2L2COMT
SCHEMBL19767080 0.77 COMT (0.35) SLC22A12COMTMEN1KMT2APOLB
SCHEMBL22518699 0.77 DGAT1 (0.35) COMT
SCHEMBL19767069 0.77 AAK1 (0.35) NFE2L2COMTMEN1KMT2AALDH1A1
SCHEMBL29672225 0.77 DGAT1 (0.35) COMT
SCHEMBL19767079 0.77 COMT (0.39) COMTMEN1KMT2APOLBTSHR
SCHEMBL18908804 0.77 ALDH1A1 (0.32) COMTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10173997-B2 Bipyridine compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-01-08 — — US disclosed
WO-2017073733-A1 PEST CONTROL COMPOSITION AND USE THEREOF 住友化学株式会社 2017-05-04 — — WO disclosed
WO-2016121969-A1 BIPYRIDINE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL 住友化学株式会社 2016-08-04 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10173997-B2 Bipyridine compound and use of same for noxious arthropod control BBOX1, ACHE, MORF4L1 SLC22A12 4849/4885NFE2L2 294/4885RXFP1 3411/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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